CID 168720537

Phosphorylated azithromycin

Structural Information

Molecular Formula
C38H73N2O15P
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OP(=O)(O)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C38H73N2O15P/c1-15-27-38(10,45)31(41)24(6)40(13)19-20(2)17-36(8,44)33(54-35-30(55-56(46,47)48)26(39(11)12)16-21(3)50-35)22(4)29(23(5)34(43)52-27)53-28-18-37(9,49-14)32(42)25(7)51-28/h20-33,35,41-42,44-45H,15-19H2,1-14H3,(H2,46,47,48)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
RIQRARZRTBKKDH-GUWUEPHNSA-N
Compound name
[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.47485 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.48213 270.7
[M+Na]+ 851.46407 274.9
[M-H]- 827.46757 267.7
[M+NH4]+ 846.50867 270.5
[M+K]+ 867.43801 254.9
[M+H-H2O]+ 811.47211 255.6
[M+HCOO]- 873.47305 271.8
[M+CH3COO]- 887.48870 275.1
[M+Na-2H]- 849.44952 295.6
[M]+ 828.47430 270.7
[M]- 828.47540 270.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.